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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Int2_l Int2_lGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1690.52122713; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1690.51939468; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1490.80703657; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1679.41560825; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1690.50361890; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--499.656947261; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/Cat CatGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1179.71369653; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Int_1 Int_1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1502.38481737; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/Epoxyhexane EpoxyhexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--311.044430760; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--188.572293711; Eh
Results 1-10 of 143 (Search time: 0.001 seconds).